CAS 1160249-14-8

8-Ethoxy-2-oxo-2H-1-benzopyran-3-carbonyl chloride

Description:

8-Ethoxy-2-oxo-2H-1-benzopyran-3-carbonyl chloride, identified by its CAS number 1160249-14-8, is a synthetic organic compound belonging to the class of benzopyran derivatives. This compound features a benzopyran core, characterized by a fused benzene and pyran ring, which contributes to its aromatic properties. The presence of an ethoxy group enhances its solubility in organic solvents and may influence its reactivity. The carbonyl chloride functional group indicates that it can participate in nucleophilic substitution reactions, making it a potential intermediate in organic synthesis. Its oxo group suggests that it may exhibit keto-enol tautomerism, which can affect its chemical behavior and stability. The compound's structure implies potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with benzopyran derivatives. However, specific biological activities, toxicity, and environmental impact would require further investigation through experimental studies.

Formula: C₁₂H₉ClO₄

InChI: InChI=1S/C12H9ClO4/c1-2-16-9-5-3-4-7-6-8(11(13)14)12(15)17-10(7)9/h3-6H,2H2,1H3

InChI key: InChIKey=PZUULGYUMDVDKF-UHFFFAOYSA-N

SMILES: O(CC)C1=C2C(C=C(C(Cl)=O)C(=O)O2)=CC=C1

Synonyms:

• 2H-1-Benzopyran-3-carbonyl chloride, 8-ethoxy-2-oxo-
• 8-Ethoxy-2-oxo-2H-1-benzopyran-3-carbonyl chloride